| Crystal data |
| Chemical formula |
[AuCl3(C6H13N)] |
[AuBr3(C6H13N)] |
[AuBr3(C6H13N)] |
|
M
r
|
402.49 |
535.87 |
535.87 |
| Crystal system, space group |
Orthorhombic, P
b
c
a
|
Orthorhombic, P
n
m
a
|
Orthorhombic, P
b
c
a
|
| Temperature (K) |
100 |
100 |
100 |
|
a, b, c (Å) |
12.5716 (6), 8.3940 (3), 20.3319 (7) |
9.9871 (5), 7.1505 (4), 15.7160 (8) |
12.6471 (5), 8.7247 (3), 21.0262 (7) |
|
V (Å3) |
2145.53 (14) |
1122.32 (10) |
2320.07 (15) |
|
Z
|
8 |
4 |
8 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
14.40 |
23.74 |
22.96 |
| Crystal size (mm) |
0.22 × 0.03 × 0.01 |
0.27 × 0.06 × 0.03 |
0.14 × 0.04 × 0.03 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Xcalibur, Eos |
Oxford Diffraction Xcalibur, Eos |
Oxford Diffraction Xcalibur, Eos |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
|
T
min, T
max
|
0.702, 1.000 |
0.240, 1.000 |
0.380, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
53277, 2887, 2134 |
28605, 1864, 1581 |
38297, 3371, 2495 |
|
R
int
|
0.080 |
0.070 |
0.074 |
| θ values (°) |
θmax = 29.1, θmin = 2.6 |
θmax = 31.1, θmin = 2.4 |
θmax = 30.0, θmin = 2.5 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.024, 0.042, 1.05 |
0.030, 0.050, 1.11 |
0.029, 0.043, 1.04 |
| No. of reflections |
2887 |
1864 |
3371 |
| No. of parameters |
105 |
65 |
105 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.86, −0.86 |
1.56, −1.19 |
0.99, −0.99 |
